SCHEMBL2075014

SCHEMBL2075014

CC(C)(C)OC(=O)Nc1ccc(Cn2nc(-c3ccc(Cl)cc3)c3c2CCN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 7/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
CTSS P25774 4/20 0.44
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
CYP17A1 P05093 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
KDM1A O60341 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR3C1 P04150 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4415157 0.93 PTGDR2 (0.47) KCNK3PTGDR2CTSSHTR7HTR1A
SCHEMBL2077035 0.92 KCNK3 (0.51) KCNK3CTSSHTR7HTR1AHTR2A
SCHEMBL2076212 0.88 KCNK3 (0.47) KCNK3CTSSHTR7HTR1AHTR2A
SCHEMBL2073889 0.87 HTR7 (0.56) KCNK3CTSSHTR7HTR1AHTR2A
SCHEMBL2075779 0.87 HTR7 (0.51) KCNK3CTSSHTR7HTR1AHTR2A
SCHEMBL2075978 0.87 KCNK3 (0.53) KCNK3CTSSHTR7HTR1AHTR2A
SCHEMBL2075400 0.84 LMNA (0.46) KCNK3CTSSHTR7HTR1AHTR2A
SCHEMBL2076503 0.81 CTSS (0.46) CTSSMKNK1HTTSMN1; SMN2NPSR1
SCHEMBL2075020 0.80 KCNK3 (0.44) KCNK3CTSS
SCHEMBL2076732 0.79 ALDH1A1 (0.43) KCNK3CTSSHTR7HTR1AHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897771-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 US disclosed
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 US disclosed
US-7579470-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-7402680-B2 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2008-05-01 US disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B KCNK3 1612/4885PTGDR2 154/4885CTSS 2576/4885
US-20110040088-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885PTGDR2 154/4885CTSS 2576/4885
US-20090270370-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885PTGDR2 154/4885CTSS 2576/4885
US-20080103132-A1 FUSED HETEROCYCLIC COMPOUNDS TPH1, HTR3A, HTR3B KCNK3 1612/4885PTGDR2 154/4885CTSS 2576/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.